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  59. <h1>@rcsb/rcsb-saguaro-3d</h1>
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  67. <a href="#rcsb-saguaro-3d" id="rcsb-saguaro-3d" style="color: inherit; text-decoration: none;">
  68. <h1>rcsb-saguaro-3D</h1>
  69. </a>
  70. <p>RCSB Saguaro Web 3D is an open-source library built on the top of the <a href="https://rcsb.github.io/rcsb-saguaro">RCSB Saguaro 1D Feature Viewer</a>
  71. and <a href="https://github.com/rcsb/rcsb-molstar">RCSB Molstar</a> designed to display protein features at the <a href="https://www.rcsb.org">RCSB Web Site</a>.
  72. The package collects protein annotations from the <a href="https://1d-coordinates.rcsb.org">1D Coordinate Server</a>
  73. and the main <a href="https://data.rcsb.org">RCSB Data API</a> and generates Protein Feature Summaries.
  74. The package allows access to RCSB Saguaro and Molstar methods to add or change the displayed data. </p>
  75. <div id="pfv"></div>
  76. <script crossorigin src="https://unpkg.com/react@17/umd/react.production.min.js"></script>
  77. <script crossorigin src="https://unpkg.com/react-dom@17/umd/react-dom.production.min.js"></script>
  78. <script crossorigin src="https://cdn.jsdelivr.net/npm/@rcsb/rcsb-saguaro-3d@1.0.1-beta/build/dist/app.js"></script>
  79. <script type="text/javascript">
  80. var __assign = (this && this.__assign) || function () {
  81. __assign = Object.assign || function(t) {
  82. for (var s, i = 1, n = arguments.length; i < n; i++) {
  83. s = arguments[i];
  84. for (var p in s) if (Object.prototype.hasOwnProperty.call(s, p))
  85. t[p] = s[p];
  86. }
  87. return t;
  88. };
  89. return __assign.apply(this, arguments);
  90. };
  91. var rowConfigChainA = [
  92. {
  93. trackId: "sequenceTrack",
  94. trackHeight: 20,
  95. trackColor: "#F9F9F9",
  96. displayType: "sequence" /* SEQUENCE */,
  97. nonEmptyDisplay: true,
  98. rowTitle: "CHAIN A",
  99. trackData: [
  100. {
  101. begin: 1,
  102. value: "CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN"
  103. }
  104. ]
  105. }, {
  106. trackId: "blockTrack",
  107. trackHeight: 20,
  108. trackColor: "#F9F9F9",
  109. displayType: "block" /* BLOCK */,
  110. displayColor: "#76ae91",
  111. rowTitle: "FEATURE",
  112. trackData: [{
  113. begin: 20,
  114. end: 25
  115. }, {
  116. begin: 150,
  117. end: 160
  118. }]
  119. }
  120. ];
  121. var rowConfigChainB = [
  122. {
  123. trackId: "sequenceTrack",
  124. trackHeight: 20,
  125. trackColor: "#F9F9F9",
  126. displayType: "sequence" /* SEQUENCE */,
  127. nonEmptyDisplay: true,
  128. rowTitle: "CHAIN B",
  129. trackData: [
  130. {
  131. begin: 1,
  132. value: "TEFGSELKSFPEVVGKTVDQAREYFTLHYPQYDVYFLPEGSPVTLDLRYNRVRVFYNPGTNVVNHVPHVG"
  133. }
  134. ]
  135. }, {
  136. trackId: "blockTrack",
  137. trackHeight: 20,
  138. trackColor: "#F9F9F9",
  139. displayType: "block" /* BLOCK */,
  140. displayColor: "#f17070",
  141. rowTitle: "FEATURE",
  142. trackData: [{
  143. begin: 20,
  144. end: 50
  145. }]
  146. }
  147. ];
  148. var fvConfigChainA = {
  149. boardId: "1acb.A_board",
  150. boardConfig: {
  151. range: {
  152. min: 1,
  153. max: 245
  154. },
  155. disableMenu:true,
  156. rowTitleWidth: 80,
  157. trackWidth: 670,
  158. includeAxis: true
  159. },
  160. rowConfig: rowConfigChainA,
  161. sequenceSelectionChangeCallback: function (plugin, selectorManager, sequenceRegion) {
  162. selectorManager.clearSelection("select", { modelId: "1acb_board", labelAsymId: "A" });
  163. plugin.clearSelection("select", { modelId: "1acb_board", labelAsymId: "A" });
  164. if (sequenceRegion.length > 0) {
  165. var regions = sequenceRegion.map(function (r) {
  166. var _a;
  167. return ({
  168. modelId: "1acb_board",
  169. labelAsymId: "A",
  170. region: { begin: r.begin, end: (_a = r.end) !== null && _a !== void 0 ? _a : r.begin, source: "sequence" }
  171. });
  172. });
  173. selectorManager.addSelectionFromMultipleRegions(regions, "select");
  174. plugin.select(regions.map(function (r) { return (__assign(__assign({}, r), { begin: r.region.begin, end: r.region.end })); }), "select", "add");
  175. }
  176. else {
  177. plugin.resetCamera();
  178. }
  179. },
  180. sequenceElementClickCallback: function (plugin, selectorManager, d) {
  181. var _a;
  182. if (d != null)
  183. plugin.cameraFocus("1acb_board", "A", d.begin, (_a = d.end) !== null && _a !== void 0 ? _a : d.begin);
  184. },
  185. sequenceHoverCallback: function (plugin, selectorManager, elements) {
  186. if (elements == null || elements.length == 0)
  187. plugin.clearSelection("hover");
  188. else
  189. plugin.select(elements.map(function (e) {
  190. var _a;
  191. return ({
  192. modelId: "1acb_board",
  193. labelAsymId: "A",
  194. begin: e.begin,
  195. end: (_a = e.end) !== null && _a !== void 0 ? _a : e.begin
  196. });
  197. }), "hover", "set");
  198. },
  199. structureSelectionCallback: function (plugin, pfv, selection) {
  200. var sel = selection.getSelectionWithCondition("1acb_board", "A", "select");
  201. if (sel == null) {
  202. pfv.clearSelection("select");
  203. plugin.resetCamera();
  204. }
  205. else {
  206. pfv.setSelection({ elements: sel.regions, mode: "select" });
  207. }
  208. },
  209. structureHoverCallback: function (plugin, pfv, selection) {
  210. var sel = selection.getSelectionWithCondition("1acb_board", "A", "hover");
  211. if (sel == null)
  212. pfv.clearSelection("hover");
  213. else
  214. pfv.setSelection({ elements: sel.regions, mode: "hover" });
  215. }
  216. };
  217. var fvConfigChainB = {
  218. boardId: "1acb.B_board",
  219. boardConfig: {
  220. range: {
  221. min: 1,
  222. max: 70
  223. },
  224. disableMenu:true,
  225. rowTitleWidth: 80,
  226. trackWidth: 670,
  227. includeAxis: true
  228. },
  229. rowConfig: rowConfigChainB,
  230. sequenceSelectionChangeCallback: function (plugin, selectorManager, sequenceRegion) {
  231. selectorManager.clearSelection("select", { modelId: "1acb_board", labelAsymId: "B" });
  232. plugin.clearSelection("select", { modelId: "1acb_board", labelAsymId: "B" });
  233. if (sequenceRegion.length > 0) {
  234. var regions = sequenceRegion.map(function (r) {
  235. var _a;
  236. return ({
  237. modelId: "1acb_board",
  238. labelAsymId: "B",
  239. region: { begin: r.begin, end: (_a = r.end) !== null && _a !== void 0 ? _a : r.begin, source: "sequence" }
  240. });
  241. });
  242. selectorManager.addSelectionFromMultipleRegions(regions, "select");
  243. plugin.select(regions.map(function (r) { return (__assign(__assign({}, r), { begin: r.region.begin, end: r.region.end })); }), "select", "add");
  244. }
  245. else {
  246. plugin.resetCamera();
  247. }
  248. },
  249. sequenceElementClickCallback: function (plugin, selectorManager, d) {
  250. var _a;
  251. if (d != null)
  252. plugin.cameraFocus("1acb_board", "B", d.begin, (_a = d.end) !== null && _a !== void 0 ? _a : d.begin);
  253. },
  254. sequenceHoverCallback: function (plugin, selectorManager, elements) {
  255. if (elements == null || elements.length == 0)
  256. plugin.clearSelection("hover");
  257. else
  258. plugin.select(elements.map(function (e) {
  259. var _a;
  260. return ({
  261. modelId: "1acb_board",
  262. labelAsymId: "B",
  263. begin: e.begin,
  264. end: (_a = e.end) !== null && _a !== void 0 ? _a : e.begin
  265. });
  266. }), "hover", "set");
  267. },
  268. structureSelectionCallback: function (plugin, pfv, selection) {
  269. var sel = selection.getSelectionWithCondition("1acb_board", "B", "select");
  270. if (sel == null) {
  271. pfv.clearSelection("select");
  272. plugin.resetCamera();
  273. }
  274. else {
  275. pfv.setSelection({ elements: sel.regions, mode: "select" });
  276. }
  277. },
  278. structureHoverCallback: function (plugin, pfv, selection) {
  279. var sel = selection.getSelectionWithCondition("1acb_board", "B", "hover");
  280. if (sel == null)
  281. pfv.clearSelection("hover");
  282. else
  283. pfv.setSelection({ elements: sel.regions, mode: "hover" });
  284. }
  285. };
  286. var blockChainA = {
  287. blockId: "chainA",
  288. featureViewConfig: [fvConfigChainA]
  289. };
  290. var blockChainB = {
  291. blockId: "chainB",
  292. featureViewConfig: [fvConfigChainB]
  293. };
  294. var blockSelectorElement = function (blockSelectorManager) {
  295. return (React.createElement("div", null,
  296. React.createElement("select", { onChange: function (e) {
  297. blockSelectorManager.setActiveBlock(e.target.value);
  298. } },
  299. React.createElement("option", { value: "chainA" }, "Chain A"),
  300. React.createElement("option", { value: "chainB" }, "Chain B"))));
  301. };
  302. var customConfig = {
  303. blockConfig: [blockChainA, blockChainB],
  304. blockSelectorElement: blockSelectorElement
  305. };
  306. var sequenceConfig = {
  307. title: undefined,
  308. subtitle: undefined,
  309. config: customConfig
  310. };
  311. var molstarConfig = {
  312. loadConfig: {
  313. loadMethod: "loadPdbIds",
  314. loadParams: [{
  315. pdbId: "1acb",
  316. id: "1acb_board"
  317. }]
  318. },
  319. pluginConfig: {
  320. showImportControls: true,
  321. showSessionControls: false
  322. },
  323. };
  324. document.addEventListener("DOMContentLoaded", function (event) {
  325. var panel3d = new RcsbFv3D.custom({
  326. elementId: "pfv",
  327. structurePanelConfig: molstarConfig,
  328. sequencePanelConfig: sequenceConfig,
  329. cssConfig: {
  330. overwriteCss:true,
  331. rootPanel:{
  332. display:"flex",
  333. flexDirection:"column-reverse"
  334. },
  335. structurePanel:{
  336. width: 750,
  337. height: 700
  338. },
  339. sequencePanel:{
  340. width:750,
  341. marginBottom:5
  342. }
  343. },
  344. });
  345. panel3d.render();
  346. });
  347. </script>
  348. <a href="#cdn-javascript" id="cdn-javascript" style="color: inherit; text-decoration: none;">
  349. <h3>CDN JavaScript</h3>
  350. </a>
  351. <p><code>&lt;script src=&quot;https://cdn.jsdelivr.net/npm/@rcsb/rcsb-saguaro-3d@1.0.0/build/dist/app.js&quot; type=&quot;text/javascript&quot;&gt;&lt;/script&gt;</code></p>
  352. <a href="#node-module-instalation" id="node-module-instalation" style="color: inherit; text-decoration: none;">
  353. <h3>Node Module Instalation</h3>
  354. </a>
  355. <p><code>npm install @rcsb/rcsb-saguaro-3d</code></p>
  356. <a href="#building-amp-running" id="building-amp-running" style="color: inherit; text-decoration: none;">
  357. <h2>Building &amp; Running</h2>
  358. </a>
  359. <a href="#build-app" id="build-app" style="color: inherit; text-decoration: none;">
  360. <h3>Build app</h3>
  361. </a>
  362. <pre><code><span class="hljs-built_in">npm</span> install
  363. <span class="hljs-built_in">npm</span> run buildApp</code></pre>
  364. <a href="#build-examples" id="build-examples" style="color: inherit; text-decoration: none;">
  365. <h3>Build examples</h3>
  366. </a>
  367. <pre><code>npm <span class="hljs-builtin-name">run</span> buildExamples</code></pre><p>From the root of the project:</p>
  368. <pre><code>http-server -p PORT-<span class="hljs-built_in">NUMBER</span></code></pre><p>and navigate to <code>localhost:PORT-NUMBER/build/examples/</code></p>
  369. <a href="#main-classes-and-methods" id="main-classes-and-methods" style="color: inherit; text-decoration: none;">
  370. <h3>Main Classes and Methods</h3>
  371. </a>
  372. <a href="#assembly-view" id="assembly-view" style="color: inherit; text-decoration: none;">
  373. <h4>Assembly view</h4>
  374. </a>
  375. <p>Class <strong><code>RcsbFv3DAssembly</code></strong> (<code>src/RcsbFv3D/RcsbFv3DAssembly.tsx</code>) builds a predefined view for PDB entries. This method is used in the RCSB PDB web portal
  376. to display 1D features on PDB entries (ex: <a href="https://www.rcsb.org/3d-sequence/4HHB">4hhb</a>). Its configuration requires a single PDB ID.
  377. In addition, <code>RcsbFvAdditionalConfig</code> allows to configure the feature viewer as describe in <a href="%22https://rcsb.github.io/rcsb-saguaro-app/index.html%22">rcsb-saguaro-app API</a></p>
  378. <pre><code class="language-typescript"><span class="hljs-keyword">interface</span> RcsbFv3DAssemblyInterface <span class="hljs-keyword">extends</span> RcsbFv3DAbstractInterface {
  379. <span class="hljs-attr">config</span>: {
  380. <span class="hljs-attr">entryId</span>: <span class="hljs-built_in">string</span>;
  381. title?: <span class="hljs-built_in">string</span>;
  382. subtitle?: <span class="hljs-built_in">string</span>;
  383. };
  384. additionalConfig?: RcsbFvAdditionalConfig;
  385. }</code></pre>
  386. <p>Source code example can be found in <code>src/examples/assembly/index.ts</code>.</p>
  387. <a href="#custom-view" id="custom-view" style="color: inherit; text-decoration: none;">
  388. <h4>Custom view</h4>
  389. </a>
  390. <p>Class <strong><code>RcsbFv3DCustom</code></strong> file <code>src/RcsbFv3D/RcsbFv3DCustom.tsx</code> builds a customized view between one or more feature viewers and a single Molstar plugin.
  391. The configuration interface encodes the parameters needed for the feature viewers (<code>sequencePanelConfig</code>) and the molstar plugin (<code>structurePanelConfig</code>).</p>
  392. <pre><code class="language-typescript"><span class="hljs-keyword">interface</span> RcsbFv3DCustomInterface <span class="hljs-keyword">extends</span> RcsbFv3DAbstractInterface {
  393. <span class="hljs-attr">structurePanelConfig</span>: RcsbFvStructureInterface;
  394. sequencePanelConfig: {
  395. <span class="hljs-attr">config</span>: CustomViewInterface;
  396. title?: <span class="hljs-built_in">string</span>;
  397. subtitle?: <span class="hljs-built_in">string</span>;
  398. };
  399. }</code></pre>
  400. <p><img src="https://raw.githubusercontent.com/rcsb/rcsb-saguaro-3d/master/.github/img/config_img.png" alt="Alt text" title="Custom config schema"></p>
  401. <p>Information in the sequence panels is organized in blocks where each block contains the parameter
  402. (<code>blockConfig</code>) to display one or more feature viewers. The optional parameter <code>blockSelectorElement</code> defines a React component
  403. that renders the html element used to change the displayed block. The class <code>BlockSelectorManager</code> is used to select which block is
  404. displayed. For example, <code>blockSelectorManager.setActiveBlock(&quot;myBlock&quot;)</code> will display the feature viewers defined in the block
  405. with <code>blockId</code> <code>&quot;myBlock&quot;</code> (see <code>FeatureBlockInterface</code>). Additionally, <code>blockChangeCallback</code> defines a function that will be executed
  406. when the displayed block changes.</p>
  407. <pre><code class="language-typescript"><span class="hljs-keyword">interface</span> CustomViewInterface {
  408. <span class="hljs-attr">blockConfig</span>: FeatureBlockInterface | <span class="hljs-built_in">Array</span>&lt;FeatureBlockInterface&gt;;
  409. blockSelectorElement?: <span class="hljs-function">(<span class="hljs-params">blockSelector: BlockSelectorManager</span>) =&gt;</span> JSX.Element;
  410. blockChangeCallback?: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, pfvList: <span class="hljs-built_in">Array</span>&lt;RcsbFv&gt;, selection: RcsbFvSelectorManager</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  411. }</code></pre>
  412. <p>Source code example can be found in <code>src/examples/multiple-chain/index.ts</code>.</p>
  413. <p>Each block must contain a unique block identifier (<code>blockId</code>) and the configuration for all the feature viewers that will be rendered
  414. when the block is activated (<code>featureViewConfig</code>).</p>
  415. <pre><code class="language-typescript"><span class="hljs-keyword">interface</span> FeatureBlockInterface {
  416. <span class="hljs-attr">blockId</span>:<span class="hljs-built_in">string</span>;
  417. featureViewConfig: <span class="hljs-built_in">Array</span>&lt;FeatureViewInterface&gt; | FeatureViewInterface;
  418. }</code></pre>
  419. <p>The interface fo each feature viewer defines its dynamic interaction with the molstar plugin through different event callbacks</p>
  420. <ul>
  421. <li><code>sequenceSelectionChangeCallback</code> defines how the molstar plugin reacts when the feature viewer selection changes</li>
  422. <li><code>sequenceElementClickCallback</code> defines how the molstar plugin reacts when a feature viewer element (positional annotation) is clicked</li>
  423. <li><code>sequenceHoverCallback</code> defines how the molstar plugin reacts when the mouse hovers the feature viewer or any element</li>
  424. <li><code>structureSelectionCallback</code> defines how the protein feature viewer reacts when the molstar plugin selection changes</li>
  425. <li><code>structureHoverCallback</code> defines how the protein feature viewer reacts when displayed models on the molstar plugin are hovered</li>
  426. </ul>
  427. <pre><code class="language-typescript"><span class="hljs-keyword">export</span> <span class="hljs-keyword">interface</span> FeatureViewInterface {
  428. boardId?:<span class="hljs-built_in">string</span>;
  429. boardConfig: RcsbFvBoardConfigInterface;
  430. rowConfig: <span class="hljs-built_in">Array</span>&lt;RcsbFvRowConfigInterface&gt;;
  431. sequenceSelectionChangeCallback: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, selectorManager: RcsbFvSelectorManager, sequenceRegion: <span class="hljs-built_in">Array</span>&lt;RcsbFvTrackDataElementInterface&gt;</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  432. sequenceElementClickCallback: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, selectorManager: RcsbFvSelectorManager, d: RcsbFvTrackDataElementInterface</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  433. sequenceHoverCallback: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, selectorManager: RcsbFvSelectorManager, hoverRegion: <span class="hljs-built_in">Array</span>&lt;RcsbFvTrackDataElementInterface&gt;</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  434. structureSelectionCallback: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, pfv: RcsbFv, selection: RcsbFvSelectorManager</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  435. structureHoverCallback: <span class="hljs-function">(<span class="hljs-params">plugin: SaguaroPluginPublicInterface, pfv: RcsbFv, selection: RcsbFvSelectorManager</span>) =&gt;</span> <span class="hljs-built_in">void</span>;
  436. }</code></pre>
  437. <a href="#contributing" id="contributing" style="color: inherit; text-decoration: none;">
  438. <h2>Contributing</h2>
  439. </a>
  440. <p>All contributions are welcome. Please, make a pull request or open an issue.</p>
  441. <a href="#license" id="license" style="color: inherit; text-decoration: none;">
  442. <h2>License</h2>
  443. </a>
  444. <p>The MIT License</p>
  445. <pre><code><span class="hljs-attribute">Copyright</span> (c) <span class="hljs-number">2021</span> - now, RCSB PDB and contributors</code></pre><p>Permission is hereby granted, free of charge, to any person obtaining a copy
  446. of this software and associated documentation files (the &quot;Software&quot;), to deal
  447. in the Software without restriction, including without limitation the rights
  448. to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
  449. copies of the Software, and to permit persons to whom the Software is
  450. furnished to do so, subject to the following conditions:</p>
  451. <p>The above copyright notice and this permission notice shall be included in
  452. all copies or substantial portions of the Software.</p>
  453. <p>THE SOFTWARE IS PROVIDED &quot;AS IS&quot;, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
  454. IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
  455. FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
  456. AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
  457. LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
  458. OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
  459. THE SOFTWARE.</p>
  460. </div>
  461. </div>
  462. <div class="col-4 col-menu menu-sticky-wrap menu-highlight">
  463. <nav class="tsd-navigation primary">
  464. <ul>
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  582. </li>
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  585. </li>
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  588. </li>
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  590. <a href="interfaces/residueselectioninterface.html" class="tsd-kind-icon">Residue<wbr>Selection<wbr>Interface</a>
  591. </li>
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